SCHEMBL4801899

SCHEMBL4801899

OCCc1c[nH]c2c(F)cccc12

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MPO P05164 7/20 0.73
SLC6A4 P31645 5/20 0.73
GPR84 Q9NQS5 1/20 0.69
PCSK9 Q8NBP7 3/20 0.49
HTR2A P28223 3/20 0.49
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RIPK1 Q13546 1/20 0.47
HTR2C P28335 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13715806 0.84 MPO (0.81) MPOSLC6A4GPR84PCSK9HTR2A
SCHEMBL1968447 0.84 MPO (1.00) MPOSLC6A4GPR84PCSK9HTR2A
SCHEMBL25882598 0.84 MPO (0.60) MPOSLC6A4GPR84HTR2AMAPT
SCHEMBL13715343 0.83 MPO (0.73) MPOSLC6A4GPR84PCSK9HTR2A
SCHEMBL14720635 0.83 MPO (0.73) MPOSLC6A4GPR84PCSK9HTR2A
Hydrochloric Acid SCHEMBL23091149 0.83 MPO (0.97) MPOSLC6A4GPR84PCSK9HTR2A
SCHEMBL27503238 0.83 MPO (0.73) MPOSLC6A4GPR84PCSK9HTR2A
SCHEMBL5477550 0.82 MPO (0.49) MPOSLC6A4GPR84HTR2AMAPT
SCHEMBL10252339 0.82 MPO (0.49) MPOSLC6A4GPR84HTR2AMAPT
SCHEMBL29005984 0.82 GPR84 (1.00) MPOSLC6A4GPR84PCSK9HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446122-B2 Substituted indole derivatives CEPHALON, INC. (US) 2008-11-04 US disclosed
US-7314886-B2 Tetrahydropyrano-indole derivatives CEPHALON, INC. (US) 2008-01-01 US disclosed
US-20070244180-A1 Substituted indole derivatives SALMEDIX, INC. 2007-10-18 US disclosed
US-20060166947-A1 Multiple myeloma treatments DANA-FARBER CANCER INSTITUTE, INC. 2006-07-27 US disclosed
US-20060160876-A1 (6-Bromo-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid ethyl ester; antineoplastic, anti-inflammatory, analgesic SALMEDIX, INC. 2006-07-20 US disclosed
EP-1680428-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2006-07-19 EP disclosed
EP-1673373-A2 INDOLE DERIVATIVES Salmedix, Inc. (US) 2006-06-28 EP disclosed
WO-2005033112-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2005-04-14 WO disclosed
WO-2005033113-A2 INDOLE DERIVATIVES CEPHALON, INC (US) 2005-04-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070244180-A1 Substituted indole derivatives IDO1, IDO2, HTR3A MPO 2633/4885SLC6A4 27/4885GPR84 3941/4885
US-20060160876-A1 (6-Bromo-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid ethyl ester; antineoplastic, anti-inflammatory, analgesic IL6, OPRK1, PTGES3 MPO 67/4885SLC6A4 2503/4885GPR84 3597/4885
US-20060166947-A1 Multiple myeloma treatments BCL6, MCL1, BCL6B MPO 4594/4885SLC6A4 1619/4885GPR84 4212/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.